2-(4-Piperidyl)benzoxazole - CAS 51784-03-3

Catalog:	BB027584
Product Name:	2-(4-Piperidyl)benzoxazole
CAS:	51784-03-3
Synonyms:	2-(4-piperidinyl)-1,3-benzoxazole; 2-piperidin-4-yl-1,3-benzoxazole

Technical Data

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Computed Properties

IUPAC Name:	2-piperidin-4-yl-1,3-benzoxazole
Description:	2-(4-Piperidyl)benzoxazole (CAS# 51784-03-3) is a useful research chemical.
Molecular Weight:	202.25
Molecular Formula:	C12H14N2O
Canonical SMILES:	C1CNCCC1C2=NC3=CC=CC=C3O2
InChI:	InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChI Key:	YHVZEPIEDXIJJT-UHFFFAOYSA-N
Boiling Point:	331.6 °C at 760 mmHg
Density:	1.143 g/cm³
MDL:	MFCD01475844
LogP:	2.62360

Publication Number	Title	Priority Date
WO-2021105117-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
JP-2018111688-A	Pharmaceutical composition	20170106
JP-6856555-B2	Pharmaceutical composition	20170106
CN-110072860-A	It can be used as the compound of immunomodulator	20161220
US-10961238-B2	Modulators of hedgehog (Hh) signaling pathway	20161026

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Related Functional Groups

Piperidines

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[832118-87-3]
Ethyl 1-(ethylsulfonyl)piperidine-4-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.110613074
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.110613074
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9